General Information of the Compound
| Compound ID |
CP0842192
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| Compound Name |
2-(2,2-diphenylacetoxy)-N,N,Ntrimethylethanaminiumbromide
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| Structure |
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| Formula |
C19H24BrNO2
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| Molecular Weight |
378.31
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| Canonical SMILES |
C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1.[Br-]
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| InChI |
InChI=1S/C19H24NO2.BrH/c1-20(2,3)14-15-22-19(21)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,18H,14-15H2,1-3H3;1H/q+1;/p-1
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| InChIKey |
ILFQGJPUOKTJFS-UHFFFAOYSA-M
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| CAS |
62604-45-9
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4